| Properties | Image |
|---|
| MNX_ID | MNXM108172 |
 |
| reference | chebi:69158 |
| formula | C38H60O12 |
| global charge | 0 |
| mol weight | 708.886 |
| InChIKey | RVCBSKDHQLKQNF-UMLJRGLSSA-N |
| InChI | InChI=1S/C38H60O12/c1-21(10-12-24(41)18-22(2)25(42)19-28-35(4,5)29(43)14-16-37(28,8)47)11-13-27-36(6,7)30(15-17-38(27,9)50-23(3)40)49-34-33(46)32(45)31(44)26(20-39)48-34/h10,14,16,18,24,26-28,30-34,39,41,44-47H,11-13,15,17,19-20H2,1-9H3/b21-10+,22-18+/t24-,26-,27+,28+,30+,31+,32+,33-,34+,37+,38+/m1/s1 |
| SMILES | CC(=O)O[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]1CC/C(C)=C/C[C@@H](O)/C=C(\C)C(=O)C[C@H]1C(C)(C)C(=O)C=C[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C38H60O12/c1-21(10-12-24(41)18-22(2)25(42)19-28-35(4,5)29(43)14-16-37(28,8)47)11-13-27-36(6,7)30(15-17-38(27,9)50-23(3)40)49-34-33(46)32(45)31(44)26(20-39)48-34/h10,14,16,18,24,26-28,30-34,39,41,44-47H,11-13,15,17,19-20H2,1-9H3/b21-10+,22-18+/t24-,26-,27+,28+,30+,31+,32+,33-,34+,37+,38+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:21](=[CH:10]\[CH2:12][C@H:24](/[CH:18]=[C:22](\[CH3:2])[C:25]([CH2:19][C@H:28]1[C:35]([CH3:4])([CH3:5])[C:29](=[O:43])[CH:14]=[CH:16][C@:37]1([CH3:8])[OH:47])=[O:42])[OH:41])[CH2:11][CH2:13][C@H:27]1[C:36]([CH3:6])([CH3:7])[C@@H:30]([O:49][C@H:34]2[C@H:33]([OH:46])[C@@H:32]([OH:45])[C@@H:31]([OH:44])[C@@H:26]([CH2:20][OH:39])[O:48]2)[CH2:15][CH2:17][C@:38]1([CH3:9])[O:50][C:23]([CH3:3])=[O:40] |
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